[關(guān)鍵詞]
[摘要]
目的 采用網(wǎng)絡(luò)藥理學(xué)闡明黃連-吳茱萸藥對(duì)多成分、多靶點(diǎn)、多途徑的作用特點(diǎn),為進(jìn)一步研究黃連-吳茱萸藥對(duì)抗癌及治療心腦血管疾病的藥效物質(zhì)基礎(chǔ)和機(jī)制提供一定理論參考。方法 通過TCMSP數(shù)據(jù)庫,以口服生物利用度(OB≥30%)和類藥性(DL≥0.18)2個(gè)重要參數(shù)為依據(jù),經(jīng)文獻(xiàn)整理,結(jié)合生物學(xué)功能、含量、研究熱度等因素篩選黃連-吳茱萸藥對(duì)活性成分;通過Drugbank和TCMSP數(shù)據(jù)庫進(jìn)行靶點(diǎn)預(yù)測分析;通過Uniprot數(shù)據(jù)庫整理篩選出作用靶點(diǎn)的所有相關(guān)基因;結(jié)合KEGG數(shù)據(jù)庫進(jìn)行GO分析和通路分析;使用Cystoscope軟件構(gòu)建化合物-靶點(diǎn)-相關(guān)疾病網(wǎng)絡(luò)圖。結(jié)果 經(jīng)篩選后得到黃連-吳茱萸藥對(duì)的41個(gè)化合物,212個(gè)潛在靶基因,44條主要信號(hào)通路,其中30條通路與癌癥相關(guān),7條通路與心腦血管疾病有關(guān),7條通路同時(shí)參與癌癥與心腦血管疾病。結(jié)論 黃連-吳茱萸藥對(duì)活性成分通過多成分、多靶點(diǎn)、多通路上調(diào)癌癥凋亡基因的表達(dá),下調(diào)細(xì)胞周期與抑凋亡相關(guān)基因的表達(dá),而產(chǎn)生抗癌作用;通過抑制血管鈣化,保護(hù)血管細(xì)胞,抑制細(xì)胞凋亡與增生達(dá)到治療心腦血管疾病的作用。
[Key word]
[Abstract]
Objective To clarify the characteristics of drug pair of Coptidis Rhizoma-Euodiae Fructus on multi-components, multi-targets and multi-pathways based on the network pharmacology, and provide a theoretical reference for further study on the pharmacodynamic basis and mechanism of Coptidis Rhizoma-Euodiae Fructus against cancer and cardio-cerebrovascular diseases. Methods Through the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, the parameters of oral bioavailability (OB ≥ 30%) and drug-likeness (DL ≥ 0.18) combined with the biological function, contents, research hotspot and other factors were used to screen out the active ingredients of the medicine pair of Coptidis Rhizoma-Euodiae Fructus. DrugBank and TCMSP databases were used to predict and analyze the targets, and Uniprot database was used to sort out all relevant genes affecting the targets. Combining the KEGG database for GO analysis and pathway analysis, "ingredients-targets-related diseases" network was constructed using Cytoscape software. Results A total of 41 compounds and 212 potential target genes, as well as 44 signaling pathways were obtained after screening from Coptidis Rhizoma-Euodiae Fructus, and there were 44 major signaling pathways involved in 30 pathways related to cancer, seven pathways which were related to cardio-cerebrovascular diseases, seven pathways which were related to cancer and cardio-cerebrovascular diseases. Conclusion The active ingredients of Coptidis Rhizoma-Euodiae Fructus can up-regulate the expression of cancer apoptosis genes through multi-components, multi-targets and multi-pathways, down-regulate the expression of cell cycle and apoptosis-related genes, and produce anti-cancer effect; Protecting vascular cells by inhibiting vascular calcification, and to achieve the effect of treating cardio-cerebrovascular diseases by inhibiting apoptosis and proliferation.
[中圖分類號(hào)]
[基金項(xiàng)目]
黑龍江省普通本科高等學(xué)校青年創(chuàng)新人才培養(yǎng)計(jì)劃(UNPYSCT-2018134);哈爾濱商業(yè)大學(xué)校級(jí)科研項(xiàng)目(17XN028);哈爾濱市應(yīng)用技術(shù)研究與開發(fā)項(xiàng)目(2016RAQXJ009);青海省科技計(jì)劃項(xiàng)目(2018-ZJ-708);國家級(jí)大學(xué)生創(chuàng)新創(chuàng)業(yè)訓(xùn)練計(jì)劃項(xiàng)目(201810240010)